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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Talbot, Peter
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2020Spectroscopic Evidence of Surface Li-Depletion of Lithium Transition-Metal Phosphatescitations
- 2019Re-evaluation of experimental measurements for the validation of electronic band structure calculations for LiFePO4 and FePO4citations
- 2018Cerebral Serotonin Transporter Measurements with [11C]DASB: A Review on Acquisition and Preprocessing across 21 PET Centrescitations
- 2018A complete and accurate description of superconductivity of AlB2-type structures from phonon dispersion calculationscitations
- 2018Identification of superconductivity mechanisms and prediction of new materials using Density Functional Theory (DFT) calculationscitations
- 2017Computational prediction and experimental confirmation of rhombohedral structures in Bi1.5CdM1.5O7 (M = Nb, Ta) pyrochlorescitations
- 2017Phonon dispersion anomalies and superconductivity in metal substituted MgB2citations
- 2014Comparison of functionals for metal Hexaboride band structure calculationscitations
- 2014Coherent phonon decay and the boron isotope effect for MgB2citations
- 2013Metal hexaborides with Sc, Ti or Mncitations
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article
Coherent phonon decay and the boron isotope effect for MgB2
Abstract
Ab-initio DFT calculations for the phonon dispersion (PD) and the Phonon Density Of States (PDOS) of the two isotopic forms (10B and 11B) of MgB2 demonstrate that use of a reduced symmetry super-lattice provides an improved approximation to the dynamical, phonon-distorted P6/mmm crystal structure. Construction of phonon frequency plots using calculated values for these isotopic forms gives linear trends with integer multiples of a base frequency that change in slope in a manner consistent with the isotope effect (IE). Spectral parameters inferred from this method are similar to that determined experimentally for the pure isotopic forms of MgB2. Comparison with AlB2 demonstrates that a coherent phonon decay down to acoustic modes is not possible for this metal. Coherent acoustic phonon decay may be an important contributor to superconductivity for MgB2.